Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 12, Issue 10, Pages 11789-11796Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.0c00860
Keywords
electrocatalytic nitrogen fixation; bimetallic oxides; nanorods; density functional theory; N-2 activation
Funding
- National Natural Science Foundation of China [51761024]
- Feitian Scholar Program of Gansu Province
- CAS Light of West China Program
- Foundation of A Hundred Youth Talents Training Program of Lanzhou Jiaotong University
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Electroreduction of N-2 represents a promising technique for ambient NH3 synthesis, but exploring efficient electrocatalysts for nitrogen reduction reaction (NRR) remains a key challenge. Herein, we reported our experimental and theoretical findings that FeMoO4 could be a new candidate for effective and durable NRR in neutral solution. The developed FeMoO4 nanorods exhibited a fascinating NRR activity with an NH3 yield of 45.8 mu g h(-1) mg(-1) (-0.5 V) and a Faradaic efficiency of 13.2% (-0.3 V). Mechanistic studies disclosed that Fe and Mo synergistically promoted the N-2 adsorption and accelerated the electron transfer on FeMoO4, whereas the unsaturated 3fold coordinated Mo (Mo-3c) sites served as the main active centers for stabilizing the key *N2H intermediate and reducing the reaction energy barrier.
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